General Information of the Compound
| Compound ID |
CP0539461
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Amino-6-((R)-4-dodecanamido-5-oxo-5-(undecyloxy)pentanamido)heptanedioic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H65N3O8
|
||||||||||||||||||
| Molecular Weight |
655.918
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCCCCOC(=O)[C@@H](CCC(=O)NC(CCCC(N)C(O)=O)C(O)=O)NC(=O)CCCCCCCCCCC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H65N3O8/c1-3-5-7-9-11-13-15-17-19-24-31(39)38-30(35(45)46-27-20-18-16-14-12-10-8-6-4-2)25-26-32(40)37-29(34(43)44)23-21-22-28(36)33(41)42/h28-30H,3-27,36H2,1-2H3,(H,37,40)(H,38,39)(H,41,42)(H,43,44)/t28?,29?,30-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JZFXEVDMARPOJB-QGVFFIPKSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound